SCHEMBL8420145

SCHEMBL8420145

C=CCc1cc(OCC(=O)O)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.52
PTGDR Q13258 1/20 0.52
PPARD Q03181 3/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN7 P35236 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AGER Q15109 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27438031 0.81 ELANE (0.39) PTGDR2PTGDRPTPN1ALDH1A1MEN1
SCHEMBL27460919 0.80 MEN1 (0.38) PTGDR2PTGDRALDH1A1MEN1KMT2A
SCHEMBL8420019 0.79 KDM4E (0.39) PTGDR2PTGDRALDH1A1TSHRMEN1
SCHEMBL8417976 0.79 PPARA (0.42) PTGDR2PTGDRPPARD
SCHEMBL8971311 0.79 PTGDR (0.38) PTGDR2PTGDRALDH1A1MEN1KMT2A
SCHEMBL8969386 0.77 PPARA (0.46) PTGDR2PTGDRPPARDHSD17B10
SCHEMBL8969655 0.76 PTGDR (0.38) PTGDR2PTGDRALDH1A1TSHRMEN1
SCHEMBL4771232 0.76 ELANE (0.46) PTGDR2PTGDRPTPN1ALDH1A1MEN1
SCHEMBL9432238 0.76 PPARA (0.47) PTGDR2PTGDRPPARDMAPT
SCHEMBL8418498 0.75 PTGS2 (0.43) PTGDR2PTGDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed